Topic: conformational-analysis Goto Github
Some thing interesting about conformational-analysis
Some thing interesting about conformational-analysis
conformational-analysis,Stochastic Conformation Analysis at semi empirical level with ab initio refinementโ
User: ale94mleon
Home Page: https://aleimi.rtfd.io
conformational-analysis,CREST - A program for the automated exploration of low-energy molecular chemical space.
Organization: crest-lab
Home Page: https://crest-lab.github.io/crest-docs/
conformational-analysis,Use PyConforMap to generate a simple scatter plot to map conformational landscapes of intrinsically disordered proteins, and quantify conformational diversity.
User: hshadman
conformational-analysis,Structural Analysis of Porphyrinoids & Corrinoids
User: jenskrumsieck
Home Page: https://porphystruct.org
conformational-analysis,This Repository contains my companion scripts to PorphyStruct. Feel free to use, steal some code or do whatever you like ๐
User: jenskrumsieck
Home Page: https://porphystruct.org
conformational-analysis,Calculate ฯ (Tau) Values (Geometry Index) for 4- and 5-coordinate complexes.
User: jenskrumsieck
conformational-analysis,A python package to generate conformers for small molecules using molecular dynamics.
User: kumaranu
conformational-analysis,A python tool for Classification of ligand conformations based on Torsion angles
User: maxmeixner
conformational-analysis,Development of Python library for standardized generation and evaluation/characterization of protein structural ensembles.
User: mikoszczyc
conformational-analysis,includes solutions to some problems in chemoinformatics, e.g. detection of isomorphism and rings in chemical structures, genetic algorithm for conformational analysis
User: mkalpar
conformational-analysis,Calculate Sterimol Parameters from Sructure Input/Output Files
Organization: patonlab
Home Page: http://www.patonlab.com
conformational-analysis,Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
Organization: patonlab
Home Page: http://patonlab.colostate.edu
conformational-analysis,:white_flower: Program for conformational analysis of heterocyclic compounds.
User: suoapvs
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